CID 164885287

6:2/8:2/10:2 tripap

Structural Information

Molecular Formula
C30H12F51O4P
SMILES
C(COP(=O)(OCCC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChI
InChI=1S/C30H12F51O4P/c31-7(32,10(37,38)13(43,44)16(49,50)18(53,54)19(55,56)21(59,60)24(65,66)27(71,72)30(79,80)81)1-4-83-86(82,85-6-3-9(35,36)12(41,42)15(47,48)22(61,62)25(67,68)28(73,74)75)84-5-2-8(33,34)11(39,40)14(45,46)17(51,52)20(57,58)23(63,64)26(69,70)29(76,77)78/h1-6H2
InChIKey
IKFQXOFWHPWSHX-UHFFFAOYSA-N
Compound name
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-henicosafluorododecyl 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

1435.966 Da
Monoisotopic Mass

18.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 1436.9733 320.6
[M+Na]+ 1458.9552 320.4
[M-H]- 1434.9587 331.9
[M+NH4]+ 1453.9998 328.2
[M+K]+ 1474.9292 330.7
[M+H-H2O]+ 1418.9633 311.5
[M+HCOO]- 1480.9642 326.8
[M+CH3COO]- 1494.9799 274.2
[M+Na-2H]- 1456.9407 321.2
[M]+ 1435.9655 309.0
[M]- 1435.9665 309.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.